Information card for entry 7133410

Structure parameters

• Formula: C161.8 H256.4 Br10 N10 O37
• Calculated formula: C161.8 H256.4 Br10 N10 O37
• Title of publication: Rim-differentiated pillar[5]arene-modified surfaces for rapid PFOA/PFOS detection.
• Authors of publication: Gao, Tu-Nan; Yang, Zhen; Goed, Jesse M. S.; Zuilhof, Han; Miloserdov, Fedor M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 72
• Pages of publication: 9789 - 9792
• a: 26.50453 ± 0.00014 Å
• b: 14.53119 ± 0.00006 Å
• c: 25.82392 ± 0.00016 Å
• α: 90°
• β: 114.266 ± 0.0007°
• γ: 90°
• Cell volume: 9067.12 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No